Chem
J-GLOBAL ID：200907050106592982   Nikkaji number：J1.185.571G

6-O-[4-O-(3-O,4-O,6-O-Tribenzyl-α-D-mannopyranosyl)-2-azido-6-O-benzoyl-3-O-benzyl-2-deoxy-α-D-glucopyranosyl]-1-O-[[(1R)-menthyl]oxycarbonyl]-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol

6-O-[4-O-(3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシル)-2-アジド-6-O-ベンゾイル-3-O-ベンジル-2-デオキシ-α-D-グルコピラノシル]-1-O-[[(1R)-メンチル]オキシカルボニル]-2-O,3-O:4-O,5-O-ジシクロヘキシリデン-D-myo-イノシトール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C76H93N[N-][N+]O18
Molecular formula furigana： C76-H93-N3-O18
Molecular weight： 1336.583
InChI： InChI=1S/C76H93N3O18/c1-48(2)55-36-35-49(3)41-56(55)90-74(82)93-66-65(67-69(96-75(94-67)37-21-9-22-38-75)70-68(66)95-76(97-70)39-23-10-24-40-76)92-72-59(78-79-77)63(85-44-52-29-15-6-16-30-52)62(58(88-72)47-87-71(81)54-33-19-8-20-34-54)91-73-60(80)64(86-45-53-31-17-7-18-32-53)61(84-43-51-27-13-5-14-28-51)57(89-73)46-83-42-50-25-11-4-12-26-50/h4-8,11-20,25-34,48-49,55-70,72-73,80H,9-10,21-24,35-47H2,1-3H3/t49-,55?,56?,57-,58-,59-,60+,61-,62-,63-,64-,65+,66+,67-,68+,69+,70+,72-,73-/m1/s1
InChI key： VNSIWGJIAFUSGG-MDXYRLKHSA-N
SMILES： CC(C)C1CC[C@@H](C)CC1OC(=O)O[C@@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]1O[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2O)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]
Systematic name  (3)：
  • 6-O-[4-O-(3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシル)-2-アジド-6-O-ベンゾイル-3-O-ベンジル-2-デオキシ-α-D-グルコピラノシル]-1-O-[[(1R)-メンチル]オキシカルボニル]-2-O,3-O:4-O,5-O-ジシクロヘキシリデン-D-myo-イノシトール
  • [(2R,3S,4R,5R,6R)-5-アジド-4-(ベンジルオキシ)-3-{[(2R,3S,4R,5R,6R)-4,5-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]-3-ヒドロキシオキサン-2-イル]オキシ}-6-[(1'S,2'R,6'R,7'S,8'R,9'R)-7'-[({[(5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル]オキシ}カルボニル)オキシ]ジスピロ[シクロヘキサン-1,4'-[3,5,10,12]テトラオキサトリシクロ[7.3.0.02,6]ドデカン-11',1''-シクロヘキサン]オキシ]オキサン-2-イル]メチル ベンゾアート
  • [(2R,3S,4R,5R,6R)-5-azido-4-(benzyloxy)-3-{[(2R,3S,4R,5R,6R)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-3-hydroxyoxan-2-yl]oxy}-6-[(1'S,2'R,6'R,7'S,8'R,9'R)-7'-[({[(5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)oxy]dispiro[cyclohexane-1,4'-[3,5,10,12]tetraoxatricyclo[7.3.0.02,6]dodecane-11',1''-cyclohexane]oxy]oxan-2-yl]methyl benzoate
Other name (1)：
  • 6-O-[4-O-(3-O,4-O,6-O-Tribenzyl-α-D-mannopyranosyl)-2-azido-6-O-benzoyl-3-O-benzyl-2-deoxy-α-D-glucopyranosyl]-1-O-[[(1R)-menthyl]oxycarbonyl]-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol
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